3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide

C8H14F3N3O2 — CID 103370207

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(CO)CC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)5(6(12)14-16)3-13-7(4-15)1-2-7/h5,13,15-16H,1-4H2,(H2,12,14)
InChIKeyRFNIXQYDESIUAG-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.03
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide (PubChem CID 103370207) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide
PubChem CID103370207
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(CO)CC1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)5(6(12)14-16)3-13-7(4-15)1-2-7/h5,13,15-16H,1-4H2,(H2,12,14)
InChIKeyRFNIXQYDESIUAG-UHFFFAOYSA-N
XLogP0.03
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369339
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxybutan-2-ylamino)methyl]propanimidamide
CID 103369624
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]propanimidamide
CID 103369625
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide
CID 103369629
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide
CID 103369630
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369887
2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369913
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369961
2-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370086
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxybutan-2-ylamino)methyl]propanimidamide
CID 103370111
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]propanimidamide
CID 103370176
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103370206

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide (CID 103370207) is 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide is NC(=NO)C(CNC1(CO)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide?
The InChIKey is RFNIXQYDESIUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c9-8(10,11)5(6(12)14-16)3-13-7(4-15)1-2-7/h5,13,15-16H,1-4H2,(H2,12,14).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide has a molecular weight of 241.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]propanimidamide is sourced from PubChem (CID 103370207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).